4-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]-2-methoxy-benzenecarbonitrile

Systemtic Name: 4-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]-2-methoxy-benzenecarbonitrile Openeye Name: 4-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]-2-methoxy-benzonitrile CAS Name: 4-[[2-[3,5-bis(4-morpholinyl)anilino]-4-pyrimidinyl]-methylamino]-2-methoxybenzonitrile IUPAC Name: 4-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-2-methoxybenzonitrile Traditional Name: 4-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]-2-methoxy-benzonitrile Formula: C27H31N7O3 MolecularWeight: 501.58014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)C#N)OC)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CN(C1=CC(=C(C=C1)C#N)OC)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C27H31N7O3/c1-32(22-4-3-20(19-28)25(18-22)35-2)26-5-6-29-27(31-26)30-21-15-23(33-7-11-36-12-8-33)17-24(16-21)34-9-13-37-14-10-34/h3-6,15-18H,7-14H2,1-2H3,(H,29,30,31)